SCHEMBL16619487

SCHEMBL16619487

CC(Nc1c(N)cnc2cc(Br)c(CCC(=O)O)cc12)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.39
PRKDC P78527 2/20 0.39
PLK1 P53350 1/20 0.39
TNF P01375 2/20 0.38
HDAC3 O15379 5/20 0.37
HDAC1 Q13547 5/20 0.37
HDAC2 Q92769 5/20 0.37
HDAC6 Q9UBN7 5/20 0.37
KDM4E B2RXH2 2/20 0.36
ASPH Q12797 2/20 0.36
KDM8 Q8N371 2/20 0.36
RIOX2 Q8IUF8 1/20 0.36
LDHA P00338 2/20 0.36
LDHB P07195 2/20 0.36
LRRK2 Q5S007 2/20 0.36
HDAC4 P56524 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16619383 0.92 PARP1 (0.43) EGFRPRKDC
SCHEMBL16618978 0.90 PRKDC (0.41) EGFRPRKDCTNFHDAC3HDAC1
SCHEMBL16619354 0.87 SIRT5 (0.39) PLK1KDM4E
SCHEMBL16619352 0.87 SIRT5 (0.39) PLK1KDM4E
SCHEMBL16619179 0.83 EGFR (0.45) EGFRPRKDCTNF
SCHEMBL16619177 0.83 EGFR (0.45) EGFRPRKDCTNF
SCHEMBL16619776 0.83 KDM4E (0.47) EGFRPRKDCTNFHDAC3HDAC1
SCHEMBL16619646 0.80 EGFR (0.45) EGFRPRKDCPLK1TNFLDHA
SCHEMBL16619642 0.80 EGFR (0.45) EGFRPRKDCPLK1TNFLDHA
SCHEMBL16619018 0.79 MAPT (0.43)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015049629-A1 IMIDAZOQUINOLINE COMPOUNDS AS BROMODOMAIN INHIBITORS Piramal Enterprises Limited (IN) 2015-04-09 WO disclosed